Title Foundations of molecular modeling and simulation : select papers from FOMMS 2018 / edited by Edward J. Maginn, Jeffrey Errington

Published Singapore : Springer, [2021]

Click on the following:
Springer eBooks
Springer Chemistry and Materials Science eBooks

Copies

Description 1 online resource (x, 220 pages) : illustrations (some color) Series Molecular modeling and simulation: applications and perspectives, 2364-5083 Molecular modeling and simulation, 2364-5083 Contents Strain Controlling Catalytic Efficiency of Water Oxidation for Ni1-xFexOOH alloy -- The Role of Entropy in the Structural Transitions in Zeolitic Imidazolate Frameworks -- Coarse-grained modeling and simulations of thermoresponsive biopolymers and polymer nanocomposites with specific and directional interactions -- Dissipative Particle Dynamics Approaches to Modeling the Self-Assembly and Morphology of Neutral and Ionic Block Copolymers in Solution -- The Statistical Mechanics of Solution-phase Nucleation: CaCO3 Revisited -- Efficient Sampling of High-Dimensional Free Energy Landscapes: A Review of Parallel Bias Metadynamics -- Coarse-Grained Force Fields Built on Atomistic Force Fields -- How Molecular Modelling Tools Can Help in Mitigaint Climate Change Summary This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike Notes " ... presented at the 2018 FOMMS conference, which was held July 15-20, 2018, at the Lake Lawn Resort in Delavan, Wisconsin (USA)"--Preface Bibliography Includes bibliographical references Notes Online resource; title from PDF title page (SpringerLink, viewed April 20, 2021) Subject Molecular structure -- Computer simulation -- Congresses Molecules -- Models -- Computer simulation -- Congresses Quantum chemistry -- Data processing -- Congresses Molecular structure -- Computer simulation Molecules -- Models -- Computer simulation Quantum chemistry -- Data processing Genre/Form proceedings (reports) Conference papers and proceedings Conference papers and proceedings. Actes de congrès. Form Electronic book Author Maginn, Edward J., editor Errington, Jeffrey R. (Jeffrey Richard), 1973- editor. ISBN 9789813366398 9813366397 9789813366404 9813366400 9789813366411 9813366419

Other Titles FOMMS 2018

  Permalink